Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50020516'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50020516 (2-(3-{2-[2-hydroxy-(E)-1-methenylimino]-1-methyl-1...) Show SMILES Cn1cc[n+](COC[n+]2ccn(C)c2CN=O)c1CN=O Show InChI InChI=1S/C12H18N6O3/c1-15-3-5-17(11(15)7-13-19)9-21-10-18-6-4-16(2)12(18)8-14-20/h3-6H,7-10H2,1-2H3/q+2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of eel acetylcholinesterase (AChE) activity by 50%				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020516 (2-(3-{2-[2-hydroxy-(E)-1-methenylimino]-1-methyl-1...) Show SMILES Cn1cc[n+](COC[n+]2ccn(C)c2CN=O)c1CN=O Show InChI InChI=1S/C12H18N6O3/c1-15-3-5-17(11(15)7-13-19)9-21-10-18-6-4-16(2)12(18)8-14-20/h3-6H,7-10H2,1-2H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair